Compound Detail

CHEMBL360749

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CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL360749
Phase	Preclinical
Structure Type	BOTH
InChI Key	RVMVHZSRUSGLEK-DWKLSMNSSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

837.0

MW (Da)

-1.03

ALogP

HBA

HBD

318.3

PSA (Å²)

0.05

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.22

EC50 1 meas. best 7.58

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor-histidine kinase AgrC CHEMBL4726	IC50	8.22	7.4	6.0	3
Receptor-histidine kinase AgrC CHEMBL4726	EC50	7.58	7.58	26.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor-histidine kinase AgrC	IC50	=	6.0	nM	8.22	Concentration required to antagonise accessory gene regulator C2 of Staphylococc...	15341477
Receptor-histidine kinase AgrC	EC50	=	26.0	nM	7.58	Effective concentration to antagonise accessory gene regulator C3 of Staphylococ...	15341477
Receptor-histidine kinase AgrC	IC50	=	70.0	nM	7.16	Antagonistic concentration for accessory gene regulator C1 of Staphylococcus aur...	15341477
Receptor-histidine kinase AgrC	IC50	=	150.0	nM	6.82	Concentration required to antagonise accessory gene regulator C4 of Staphylococc...	15341477

PubMed	DOI	Target Context	# Activities
15341477	10.1021/jm0400754	Receptor-histidine kinase AgrC	4

Data from ChEMBL 36 via Core Engine